N-[2-(4-ethoxyphenyl)-4-oxochromen-7-yl]-2,2-dimethylpropanamide

C22H23NO4 — CID 18568864

IUPACN-[2-(4-ethoxyphenyl)-4-oxochromen-7-yl]-2,2-dimethylpropanamide
SMILESCCOc1ccc(-c2cc(=O)c3ccc(NC(=O)C(C)(C)C)cc3o2)cc1
InChIInChI=1S/C22H23NO4/c1-5-26-16-9-6-14(7-10-16)19-13-18(24)17-11-8-15(12-20(17)27-19)23-21(25)22(2,3)4/h6-13H,5H2,1-4H3,(H,23,25)
InChIKeyYMXWQHMJVBHQOD-UHFFFAOYSA-N
MW365.43 g/mol
LogP4.84
Rot. Bonds4

About N-[2-(4-ethoxyphenyl)-4-oxochromen-7-yl]-2,2-dimethylpropanamide

N-[2-(4-ethoxyphenyl)-4-oxochromen-7-yl]-2,2-dimethylpropanamide (PubChem CID 18568864) has the molecular formula C22H23NO4 and a molecular weight of 365.43 g/mol. Its IUPAC name is N-[2-(4-ethoxyphenyl)-4-oxochromen-7-yl]-2,2-dimethylpropanamide.

Molecular Properties

Compound NameN-[2-(4-ethoxyphenyl)-4-oxochromen-7-yl]-2,2-dimethylpropanamide
PubChem CID18568864
Molecular FormulaC22H23NO4
Molecular Weight365.43 g/mol
Exact Mass365.16
IUPAC NameN-[2-(4-ethoxyphenyl)-4-oxochromen-7-yl]-2,2-dimethylpropanamide
SMILESCCOc1ccc(-c2cc(=O)c3ccc(NC(=O)C(C)(C)C)cc3o2)cc1
InChIInChI=1S/C22H23NO4/c1-5-26-16-9-6-14(7-10-16)19-13-18(24)17-11-8-15(12-20(17)27-19)23-21(25)22(2,3)4/h6-13H,5H2,1-4H3,(H,23,25)
InChIKeyYMXWQHMJVBHQOD-UHFFFAOYSA-N
XLogP4.84
TPSA68.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.43
LogP ≤ 54.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(4-ethoxyphenyl)-4-oxochromen-7-yl]-3-methoxybenzamide
CID 18568882
2-chloro-N-[2-(4-ethoxyphenyl)-4-oxochromen-6-yl]-2-phenylacetamide
CID 110274479
N-[4-(4-ethoxyphenoxy)phenyl]-2,2-dimethylpropanamide
CID 26242416
N-[2-(4-ethoxyphenyl)-4-oxochromen-6-yl]-2-(2,3,4,5,6-pentafluorophenoxy)propanamide
CID 110274178
1-(4-ethoxyphenyl)-3-(4-oxochromen-2-yl)urea
CID 3042361
2,2,2-trifluoro-N-[4-(6-methoxy-4-oxochromen-2-yl)phenyl]acetamide
CID 108754281
N-(4-methoxyphenyl)-2-(4-oxo-2-phenylchromen-7-yl)oxyacetamide
CID 44587589
N-[2-(4-methoxyphenyl)-4-oxochromen-7-yl]thiophene-2-carboxamide
CID 18568866
N-dibenzofuran-3-yl-2,2-dimethylpropanamide
CID 15495610
N-[2-(2-ethoxyphenyl)-4-oxochromen-7-yl]-4-methoxybenzamide
CID 98476056
5,7-diethoxy-2-(4-ethoxyphenyl)chromen-4-one
CID 174788047
N-(4-fluorophenyl)-2-(4-oxo-2-phenylchromen-7-yl)oxyacetamide
CID 44587588

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-ethoxyphenyl)-4-oxochromen-7-yl]-2,2-dimethylpropanamide?
The IUPAC name of N-[2-(4-ethoxyphenyl)-4-oxochromen-7-yl]-2,2-dimethylpropanamide (CID 18568864) is N-[2-(4-ethoxyphenyl)-4-oxochromen-7-yl]-2,2-dimethylpropanamide.
What is the SMILES notation for N-[2-(4-ethoxyphenyl)-4-oxochromen-7-yl]-2,2-dimethylpropanamide?
The canonical SMILES for N-[2-(4-ethoxyphenyl)-4-oxochromen-7-yl]-2,2-dimethylpropanamide is CCOc1ccc(-c2cc(=O)c3ccc(NC(=O)C(C)(C)C)cc3o2)cc1.
What is the InChIKey of N-[2-(4-ethoxyphenyl)-4-oxochromen-7-yl]-2,2-dimethylpropanamide?
The InChIKey is YMXWQHMJVBHQOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23NO4/c1-5-26-16-9-6-14(7-10-16)19-13-18(24)17-11-8-15(12-20(17)27-19)23-21(25)22(2,3)4/h6-13H,5H2,1-4H3,(H,23,25).
What are the key properties of N-[2-(4-ethoxyphenyl)-4-oxochromen-7-yl]-2,2-dimethylpropanamide?
N-[2-(4-ethoxyphenyl)-4-oxochromen-7-yl]-2,2-dimethylpropanamide has a molecular weight of 365.43 g/mol, XLogP of 4.84, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-ethoxyphenyl)-4-oxochromen-7-yl]-2,2-dimethylpropanamide is sourced from PubChem (CID 18568864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).